4-acetyl-2-iodophenolate

C8H6IO2- — CID 154609369

IUPAC4-acetyl-2-iodophenolate
SMILESCC(=O)c1ccc([O-])c(I)c1
InChIInChI=1S/C8H7IO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3/p-1
InChIKeySJRAJHOOMLHHQN-UHFFFAOYSA-M
MW261.04 g/mol
LogP1.57
Rot. Bonds1

About 4-acetyl-2-iodophenolate

4-acetyl-2-iodophenolate (PubChem CID 154609369) has the molecular formula C8H6IO2- and a molecular weight of 261.04 g/mol. Its IUPAC name is 4-acetyl-2-iodophenolate.

Molecular Properties

Compound Name4-acetyl-2-iodophenolate
PubChem CID154609369
Molecular FormulaC8H6IO2-
Molecular Weight261.04 g/mol
Exact Mass260.94
IUPAC Name4-acetyl-2-iodophenolate
SMILESCC(=O)c1ccc([O-])c(I)c1
InChIInChI=1S/C8H7IO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3/p-1
InChIKeySJRAJHOOMLHHQN-UHFFFAOYSA-M
XLogP1.57
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.04
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

sodium 4-acetyl-2-nitrophenolate
CID 158587086
1-(3-iodo-4-propan-2-yloxyphenyl)ethanone
CID 153246357
1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone
CID 57071354
potassium 4-acetyl-2-(hydroxycarbamoyl)phenolate
CID 23683368
methyl 2-(4-acetyl-2-iodophenyl)acetate
CID 121231892
ethane;1-(4-iodophenyl)ethanone
CID 159760217
1-(4-acetylphenyl)ethanone;methane
CID 159515104
lithium 4-acetyl-2-diphenylphosphorylphenolate
CID 177124886
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-(6-iodo-3-pyridinyl)ethanone
CID 23591882
sodium 3-acetylphenolate
CID 23687390
1-[4-iodo-3-(trifluoromethoxy)phenyl]ethanone
CID 170909672

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-iodophenolate?
The IUPAC name of 4-acetyl-2-iodophenolate (CID 154609369) is 4-acetyl-2-iodophenolate.
What is the SMILES notation for 4-acetyl-2-iodophenolate?
The canonical SMILES for 4-acetyl-2-iodophenolate is CC(=O)c1ccc([O-])c(I)c1.
What is the InChIKey of 4-acetyl-2-iodophenolate?
The InChIKey is SJRAJHOOMLHHQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7IO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3/p-1.
What are the key properties of 4-acetyl-2-iodophenolate?
4-acetyl-2-iodophenolate has a molecular weight of 261.04 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-iodophenolate is sourced from PubChem (CID 154609369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).